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68482-66-6 | 2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-hydroxy-
CAS No: 68482-66-6 Catalog No: AG0063DQ MDL No:
Product Description
Catalog Number:
AG0063DQ
Chemical Name:
2H-1-Benzopyran-2-one, 3-(1H-benzimidazol-2-yl)-7-hydroxy-
CAS Number:
68482-66-6
Molecular Formula:
C16H10N2O3
Molecular Weight:
278.2622
IUPAC Name:
3-(1H-benzimidazol-2-yl)-7-hydroxychromen-2-one
InChI:
InChI=1S/C16H10N2O3/c19-10-6-5-9-7-11(16(20)21-14(9)8-10)15-17-12-3-1-2-4-13(12)18-15/h1-8,19H,(H,17,18)
InChI Key:
FKLWVMVXBCSONV-UHFFFAOYSA-N
SMILES:
Oc1ccc2c(c1)oc(=O)c(c2)c1nc2c([nH]1)cccc2
Properties
Complexity:
464
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.069g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
278.267g/mol
Monoisotopic Mass:
278.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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